N-benzyl-3-(4-cyanoanilino)-N-ethylpropanamide

C19H21N3O — CID 109023018

IUPACN-benzyl-3-(4-cyanoanilino)-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCNc1ccc(C#N)cc1
InChIInChI=1S/C19H21N3O/c1-2-22(15-17-6-4-3-5-7-17)19(23)12-13-21-18-10-8-16(14-20)9-11-18/h3-11,21H,2,12-13,15H2,1H3
InChIKeyRJTWETNMUJRURW-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.41
Rot. Bonds7

About N-benzyl-3-(4-cyanoanilino)-N-ethylpropanamide

N-benzyl-3-(4-cyanoanilino)-N-ethylpropanamide (PubChem CID 109023018) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-benzyl-3-(4-cyanoanilino)-N-ethylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-cyanoanilino)-N-ethylpropanamide
PubChem CID109023018
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-benzyl-3-(4-cyanoanilino)-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCNc1ccc(C#N)cc1
InChIInChI=1S/C19H21N3O/c1-2-22(15-17-6-4-3-5-7-17)19(23)12-13-21-18-10-8-16(14-20)9-11-18/h3-11,21H,2,12-13,15H2,1H3
InChIKeyRJTWETNMUJRURW-UHFFFAOYSA-N
XLogP3.41
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyanoanilino)-N,N-diethylpropanamide
CID 54936059
N-benzyl-N-ethyl-3-(3-methylanilino)propanamide
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N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-ethylpropanamide
CID 109022997
N-benzyl-2-(3-cyanoanilino)-N-ethylacetamide
CID 32899277
N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide
CID 109023020
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440
N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
CID 60854868
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
4-[(3-oxo-3-phenylpropyl)amino]benzonitrile
CID 94268936
N-benzyl-2-cyano-N-ethylacetamide
CID 28983811
N-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide
CID 109023002

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-cyanoanilino)-N-ethylpropanamide?
The IUPAC name of N-benzyl-3-(4-cyanoanilino)-N-ethylpropanamide (CID 109023018) is N-benzyl-3-(4-cyanoanilino)-N-ethylpropanamide.
What is the SMILES notation for N-benzyl-3-(4-cyanoanilino)-N-ethylpropanamide?
The canonical SMILES for N-benzyl-3-(4-cyanoanilino)-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)CCNc1ccc(C#N)cc1.
What is the InChIKey of N-benzyl-3-(4-cyanoanilino)-N-ethylpropanamide?
The InChIKey is RJTWETNMUJRURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-2-22(15-17-6-4-3-5-7-17)19(23)12-13-21-18-10-8-16(14-20)9-11-18/h3-11,21H,2,12-13,15H2,1H3.
What are the key properties of N-benzyl-3-(4-cyanoanilino)-N-ethylpropanamide?
N-benzyl-3-(4-cyanoanilino)-N-ethylpropanamide has a molecular weight of 307.40 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-cyanoanilino)-N-ethylpropanamide is sourced from PubChem (CID 109023018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).